REMARK  Name = BDB061168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.616   0.559  -0.135  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        0.881  -0.648  -0.244  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1       -0.486  -0.549  -0.207  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.946  -1.820  -0.392  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.067  -2.654  -0.480  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.161   0.665  -0.048  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.483   1.778   0.027  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.226  -1.913  -0.387  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        0.901   1.696  -0.014  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.950   1.417  -0.090  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.985   0.435  -0.174  0.00  0.00    -0.277 N 
ATOM     12  H   LIG    1        3.325  -0.521  -0.281  0.00  0.00    +0.155 HD
ATOM     13  O   LIG    1        3.704   2.613   0.044  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1        5.812  -0.368  -0.318  0.00  0.00    +0.132 A 
ATOM     15  C   LIG    1        5.388   0.971  -0.170  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1        6.358   1.989  -0.087  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        7.719   1.694  -0.149  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        8.131   0.376  -0.295  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        7.186  -0.649  -0.379  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.252  -2.691  -0.561  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        4.845  -1.337  -0.395  0.00  0.00    -0.494 OA
ENDBRANCH  14  21
ENDBRANCH  10  15
ENDBRANCH   1  11
BRANCH   6  22
ATOM     22  N   LIG    1       -2.538   0.712   0.003  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.800   1.695  -0.091  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.224   0.192   1.186  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.701   0.443   1.079  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.484  -0.068   0.047  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.100  -0.857  -1.149  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.489  -1.284  -1.625  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.470  -0.361  -1.102  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.847   0.196  -0.016  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.495   0.966   0.928  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.737   1.474   1.981  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.362   1.208   2.050  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.668   1.715   3.079  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6